1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene

C12H21N3O3S — CID 120715672

IUPAC1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene
SMILESCOCCN(C)S(=O)(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C12H21N3O3S/c1-15(9-10-18-2)19(16,17)14-8-7-11-3-5-12(13)6-4-11/h3-6,14H,7-10,13H2,1-2H3
InChIKeyHDGAKSBLDGUAIQ-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.22
Rot. Bonds8

About 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene

1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene (PubChem CID 120715672) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene.

Molecular Properties

Compound Name1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene
PubChem CID120715672
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene
SMILESCOCCN(C)S(=O)(=O)NCCc1ccc(N)cc1
InChIInChI=1S/C12H21N3O3S/c1-15(9-10-18-2)19(16,17)14-8-7-11-3-5-12(13)6-4-11/h3-6,14H,7-10,13H2,1-2H3
InChIKeyHDGAKSBLDGUAIQ-UHFFFAOYSA-N
XLogP0.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenyl)ethyl]-3-methoxypropane-1-sulfonamide
CID 63290076
1-amino-4-[2-(dipropylsulfamoylamino)ethyl]benzene
CID 63237275
1-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethylamino]propane
CID 120716233
4-[2-[2-methoxyethyl(3-methoxypropyl)amino]ethyl]aniline
CID 54985228
N-[2-(4-aminophenyl)ethyl]-2-methylsulfonylethanesulfonamide;hydrochloride
CID 120715601
1-N-[2-(4-aminophenyl)ethyl]-2-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 120715586
N-[2-(4-aminophenyl)ethyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 120715754
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
4-[2-(2-methoxyethylsulfamoylamino)ethyl]benzenesulfonamide
CID 114816625
N-[2-(4-aminophenyl)ethyl]-5-(dimethylamino)naphthalene-1-sulfonamide
CID 54343752
1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
4-amino-N-[2-[3-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]ethyl]benzenesulfonamide
CID 20990028

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene?
The IUPAC name of 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene (CID 120715672) is 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene.
What is the SMILES notation for 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene?
The canonical SMILES for 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene is COCCN(C)S(=O)(=O)NCCc1ccc(N)cc1.
What is the InChIKey of 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene?
The InChIKey is HDGAKSBLDGUAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-15(9-10-18-2)19(16,17)14-8-7-11-3-5-12(13)6-4-11/h3-6,14H,7-10,13H2,1-2H3.
What are the key properties of 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene?
1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene has a molecular weight of 287.38 g/mol, XLogP of 0.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[2-[[2-methoxyethyl(methyl)sulfamoyl]amino]ethyl]benzene is sourced from PubChem (CID 120715672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).